Code Monomeric form Dimer SMILES Monomeric form bond atoms Monomeric form displaced atoms Left bond atoms Left displaced atoms Right bond atoms Right displaced atoms
A NH2123N45N67O8910HOB1112OHB1314OH1516N1718N19 H2N123N45N67O8910O1112O1314HO1516N1718N19P20O21O22O23NH2242526N2728N2930O313233O3435OH3637OH3839N4041N42P43O44O45 Nc1c2ncn(C3OC(CO)C(O)C3O)c2ncn1 O11 H11 O13 H13
C NH212N34O5N6789O101112OHB1314HOB1516HO17 NH212N34O5N6789O101112O1314O1516HO17P18O19O20O21H2N2223N2425O26N27282930O313233O3435OH3637OH38P39O40O41 Nc1nc(=O)n(cc1)C1OC(CO)C(O)C1O O13 H13 O15 H15
G NH212N345N67N89O101112OHB1314HOB1516HO1718O19NH20 H2N12N345N67N89O101112O1314O1516OH1718O19HN20P21O22O23O24NH22526N272829N3031N3233O343536O3738HO3940HO4142O43NH44P45O46O47 Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1 O13 H13 O15 H15
U HOB123O456HO78HOB9N10111213O14HN1516O17 O123O456HO78O9N10111213O14HN1516O17P18O19O20O21O222324O252627OH2829OH30N31323334O35HN3637O38P39O40O41 OCC1OC(C(O)C1O)n1ccc(=O)[nH]c1=O O1 H1 O9 H9
01A CH31O234HOB567HOB8O910N1112N131415N1617N18CH31920NH21 CH31O234O567O8O910N1112N131415N1617N18H3C1920NH21P22O23O24O25CH326O272829HO303132O33O3435N3637N383940N4142N43CH34445NH46P47O48O49 COC1C(O)C(CO)OC1n1cnc2c1ncn(C)c2=N O8 H8 O5 H5
01G CH31O234HOB567HOB8O910N1112N131415N1617NH218N19CH32021O22 CH31O234O567O8O910N1112N131415N1617H2N18N19H3C2021O22P23O24O25O26CH327O282930HO313233O34O3536N3738N394041N4243NH244N45CH34647O48P49O50O51 COC1C(O)C(CO)OC1n1cnc2c1nc(N)n(C)c2=O O8 H8 O5 H5
019A CH31O234HOB567HOB8O910N1112N131415N1617N18CH31920O21 CH31O234O567O8O910N1112N131415N1617N18H3C1920O21P22O23O24O25CH326O272829HO303132O33O3435N3637N383940N4142N43CH34445O46P47O48O49 COC1C(O)C(CO)OC1n1cnc2c1ncn(C)c2=O O8 H8 O5 H5
1309U CH31N2345O678HOB910HOB1112OH1314O15N16171819N20H21H22H2324O25O2627O28 CH31N2345O678O910O1112HO1314O15N16171819N20H21H22H2324O25O2627O28P29O30O31O32H3C33N34353637O383940O4142OH4344OH4546O47N48495051N52H53H54H5556O57O5859O60P61O62O63 Cn1cc(C2OC(CO)C(O)C2O)c(=O)n(CCC([NH3+])C(=O)[O-])c1=O O9 H9 O11 H11
1A CH31N23N456N78N910O111213OHB1415HOB1617HO1819NH20 H3C1N23N456N78N910O111213O1415O1617OH1819NH20P21O22O23O24CH325N2627N282930N3132N3334O353637O3839HO4041HO4243NH44P45O46O47 Cn1cnc2c(ncn2C2OC(CO)C(O)C2O)c1=N O14 H14 O16 H16
1G CH31N23NH24N567N89N1011O121314OHB1516HOB1718HO1920O21 H3C1N23H2N4N567N89N1011O121314O1516O1718OH1920O21P22O23O24O25CH326N2728NH229N303132N3334N3536O373839O4041HO4243HO4445O46P47O48O49 Cn1c(N)nc2c(ncn2C2OC(CO)C(O)C2O)c1=O O15 H15 O17 H17
19A CH31N23N456N78N910O111213OHB1415HOB1617HO1819O20 H3C1N23N456N78N910O111213O1415O1617OH1819O20P21O22O23O24CH325N2627N282930N3132N3334O353637O3839HO4041HO4243O44P45O46O47 Cn1cnc2c(ncn2C2OC(CO)C(O)C2O)c1=O O14 H14 O16 H16
19U CH31N23N456N78N910O111213OHB1415HOB1617HO1819O20 H3C1N23N456N78N910O111213O1415O1617OH1819O20P21O22O23O24CH325N2627N282930N3132N3334O353637O3839HO4041HO4243O44P45O46O47 Cn1cnc2c(ncn2C2OC(CO)C(O)C2O)c1=O O14 H14 O16 H16
28A CH31N23N456N78N910O111213OHB1415HOB1617HO1819O20 H3C1N23N456N78N910O111213O1415O1617OH1819O20P21O22O23O24CH325N2627N282930N3132N3334O353637O3839HO4041HO4243O44P45O46O47 Cn1cnc2c(ncn2C2OC(CO)C(O)C2O)c1=O O14 H14 O16 H16
msms2i6A CH31S23S45N67HN891011CH312H3C1314N1516N1718H19O2021H2223HOB2425OHB2627OH2829N30 CH31S23S45N67NH891011H3C12CH31314N1516N1718H19O2021H2223O2425O2627HO2829N30P31O32O33O34CH335S3637S3839N4041NH42434445CH346H3C4748N4950N5152H53O5455H5657O5859OH6061OH6263N64P65O66O67 CSCSc1nc(NCC=C(C)C)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1 O24 H24 O26 H26
21U CH31S23S45N67HN891011CH312H3C1314N1516N1718H19O2021H2223HOB2425OHB2627OH2829N30 CH31S23S45N67NH891011H3C12CH31314N1516N1718H19O2021H2223O2425O2627HO2829N30P31O32O33O34CH335S3637S3839N4041NH42434445CH346H3C4748N4950N5152H53O5455H5657O5859OH6061OH6263N64P65O66O67 CSCSc1nc(NCC=C(C)C)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1 O24 H24 O26 H26
21C N1H2H3H456789HN1011NH1213N14H15H161718N1920H21O2223H2425HOB2627H28HOB2930OH3132O33O34 N1H2H3H456789NH1011HN1213N14H15H161718N1920H21O2223H2425O2627H28O2930HO3132O33O34P35O36O37O38N39H40H41H424344454647NH4849NH5051N52H53H545556N5758H59O6061H6263O6465H66OH6768OH6970O71O72P73O74O75 [NH3+]C(CCCCNC1NC(=[NH2+])C=CN1[C@@H]1O[C@H](CO)[C@H](O)C1O)C(=O)[O-] O26 H26 O29 H29
2A CH312N34NH256N78N910O111213HOB1415OHB1617OH1819N20 H3C12N34H2N56N78N910O111213O1415O1617HO1819N20P21O22O23O24CH32526N2728NH22930N3132N3334O353637O3839OH4041OH4243N44P45O46O47 Cc1nc(N)c2ncn(C3OC(CO)C(O)C3O)c2n1 O14 H14 O16 H16
2164A CH31S23N4567O8NH910H1112H13CH314HO1516O1718N1920N2122H23O2425H2627HOB2829OHB3031OH3233N34 CH31S23N4567O8HN910H1112H13H3C14OH1516O1718N1920N2122H23O2425H2627O2829O3031HO3233N34P35O36O37O38CH339S4041N42434445O46NH4748H4950H51CH352HO5354O5556N5758N5960H61O6263H6465O6667OH6869OH7071N72P73O74O75 CSc1nc(C2C(=O)N[C@@H]([C@@H](C)O)C2=O)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1 O28 H28 O30 H30
2160A CH31S23N45HN6789H3C1011HO1213N1415N1617H18O1920H2122HOB2324H25OHB2627OH2829N30 CH31S23N45NH6789CH31011OH1213N1415N1617H18O1920H2122O2324H25O2627HO2829N30P31O32O33O34CH335S3637N3839NH40414243H3C4445OH4647N4849N5051H52O5354H5556O5758H59OH6061OH6263N64P65O66O67 CSc1nc(NCC=C(C)CO)c2ncn([C@@H]3O[C@H](CO)[C@H](O)C3O)c2n1 O23 H23 O26 H26
2163A H3C123OH45NH67O8NH910N1112S13CH314N1516N1718N192021H22O2324H2526HOB2728H29OHB3031OH3233O34O35 CH3123OH45NH67O8NH910N1112S13H3C14N1516N1718N192021H22O2324H2526O2728H29O3031OH3233O34O35P36O37O38O39CH3404142HO4344HN4546O47HN4849N5051S52CH353N5455N5657N585960H61O6263H6465O6667H68HO6970HO7172O73O74P75O76O77 CCC(O)C(NC(=O)Nc1nc(SC)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](O)C1O)C(=O)[O-] O27 H27 O30 H30
2161A CH31S23N45HN6789CH310H3C1112N1314N1516H17O1819H2021HOB2223H24OHB2526OH2728N29 CH31S23N45NH6789H3C10CH31112N1314N1516H17O1819H2021O2223H24O2526HO2728N29P30O31O32O33CH334S3536N3738NH39404142CH343H3C4445N4647N4849H50O5152H5354O5556H57OH5859OH6061N62P63O64O65 CSc1nc(NCC=C(C)C)c2ncn([C@@H]3O[C@H](CO)[C@H](O)C3O)c2n1 O22 H22 O25 H25
621A CH31HN234N56N78H9O1011H1213HOB1415H16OHB1718OH1920N2122S23CH324N25 H3C1NH234N56N78H9O1011H1213O1415H16O1718HO1920N2122S23H3C24N25P26O27O28O29CH330HN313233N3435N3637H38O3940H4142O4344H45OH4647OH4849N5051S52CH353N54P55O56O57 CNc1c2ncn([C@@H]3O[C@H](CO)[C@H](O)C3O)c2nc(SC)n1 O14 H14 O17 H17
2162A H3C1S23N45HN67O8HN91011CH312HO1314O15O1617N1819N2021H22O2324H2526HOB2728H29HOB3031OH3233N34 CH31S23N45NH67O8NH91011H3C12OH1314O15O1617N1819N2021H22O2324H2526O2728H29O3031HO3233N34P35O36O37O38CH339S4041N4243HN4445O46HN474849CH350HO5152O53O5455N5657N5859H60O6162H6364O6566H67OH6869OH7071N72P73O74O75 CSc1nc(NC(=O)NC(C(C)O)C(=O)[O-])c2ncn([C@@H]3O[C@H](CO)[C@H](O)C3O)c2n1 O27 H27 O30 H30
20U HOB123O456HO78HOB9N10111213O14HN1516Se17 O123O456HO78O9N10111213O14HN1516Se17P18O19O20O21O222324O252627OH2829OH30N31323334O35HN3637Se38P39O40O41 OCC1OC(C(O)C1O)n1ccc(=O)[nH]c1=[Se] O1 H1 O9 H9
02U CH31O234OHB567OHB8O910N11121314O15HN1617S18 CH31O234O567O8O910N11121314O15HN1617S18P19O20O21O22H3C23O242526HO272829O30O3132N33343536O37NH3839S40P41O42O43 COC1C(O)C(CO)OC1n1ccc(=O)[nH]c1=S O8 H8 O5 H5
2C CH31O234OHB567OHB8O910N11121314O15HN1617S18 CH31O234O567O8O910N11121314O15HN1617S18P19O20O21O22H3C23O242526HO272829O30O3132N33343536O37NH3839S40P41O42O43 COC1C(O)C(CO)OC1n1ccc(=O)[nH]c1=S O8 H8 O5 H5
2U CH31O234OHB567OHB8O910N11121314O15HN1617S18 CH31O234O567O8O910N11121314O15HN1617S18P19O20O21O22H3C23O242526HO272829O30O3132N33343536O37NH3839S40P41O42O43 COC1C(O)C(CO)OC1n1ccc(=O)[nH]c1=S O8 H8 O5 H5
0A CH31O234OHB567OHB8O910N1112N131415NH216N1718N1920 H3C1O234O567O8O910N1112N131415H2N16N1718N1920P21O22O23O24CH325O262728OH293031O32O3334N3536N373839NH240N4142N4344P45O46O47 COC1C(O)C(CO)OC1n1cnc2c(N)ncnc12 O8 H8 O5 H5
0C CH31O234OHB567OHB8O910N11121314H2N15N1617O18 CH31O234O567O8O910N11121314H2N15N1617O18P19O20O21O22H3C23O242526HO272829O30O3132N33343536NH237N3839O40P41O42O43 COC1C(O)C(CO)OC1n1ccc(N)nc1=O O8 H8 O5 H5
0G CH31O234HOB567HOB8O910N1112N131415N1617NH218NH1920O21 CH31O234O567O8O910N1112N131415N1617H2N18HN1920O21P22O23O24O25CH326O272829HO303132O33O3435N3637N383940N4142NH243NH4445O46P47O48O49 COC1C(O)C(CO)OC1n1cnc2c1nc(N)[nH]c2=O O8 H8 O5 H5
09A CH31O234HOB567HOB8O910N1112N131415N1617NH1819O20 CH31O234O567O8O910N1112N131415N1617HN1819O20P21O22O23O24CH325O262728HO293031O32O3334N3536N373839N4041NH4243O44P45O46O47 COC1C(O)C(CO)OC1n1cnc2c1nc[nH]c2=O O8 H8 O5 H5
09U CH31O234OHB567OHB8O9101112HN1314O15HN1617O18 CH31O234O567O8O9101112HN1314O15HN1617O18P19O20O21O22H3C23O242526HO272829O30O31323334NH3536O37NH3839O40P41O42O43 COC1C(O)C(CO)OC1c1c[nH]c(=O)[nH]c1=O O8 H8 O5 H5
0U CH31O234OHB567OHB8O910N11121314O15HN1617O18 CH31O234O567O8O910N11121314O15HN1617O18P19O20O21O22H3C23O242526HO272829O30O3132N33343536O37NH3839O40P41O42O43 COC1C(O)C(CO)OC1n1ccc(=O)[nH]c1=O O8 H8 O5 H5
0503U H3C1O234H5HOB67H89HOB10O1112H13N141516O171819O20O21CH32223O24NH2526O27 CH31O234H5O67H89O10O1112H13N141516O171819O20O21H3C2223O24NH2526O27P28O29O30O31CH332O333435H36OH3738H3940O41O4243H44N454647O484950O51O52CH35354O55HN5657O58P59O60O61 COC1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(OCC(=O)OC)c(=O)[nH]c1=O O10 H10 O6 H6
03U CH31O234H5OHB67H89OHB10O1112H13N14151617O18N19CH32021O22 CH31O234H5O67H89O10O1112H13N14151617O18N19CH32021O22P23O24O25O26H3C27O282930H31HO3233H3435O36O3738H39N40414243O44N45H3C4647O48P49O50O51 COC1[C@@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)n(C)c1=O O10 H10 O6 H6
308U N1H2H3H4567N89O101112N1314O151617HOB1819HOB2021OH2223O2425O26O27 N1H2H3H4567N89O101112N1314O151617O1819O2021HO2223O2425O26O27P28O29O30O31N32H33H34H35363738N3940O414243N4445O464748O4950OH5152OH5354O5556O57O58P59O60O61 [NH3+]C(CCN1C(=O)CCN(C2OC(CO)C(O)C2O)C1=O)C(=O)[O-] O18 H18 O20 H20
309U N1H2H3H4567N89O101112N1314O151617HOB1819HOB2021OH2223O2425O26O27 N1H2H3H4567N89O101112N1314O151617O1819O2021HO2223O2425O26O27P28O29O30O31N32H33H34H35363738N3940O414243N4445O464748O4950OH5152OH5354O5556O57O58P59O60O61 [NH3+]C(CCN1C(=O)CCN(C2OC(CO)C(O)C2O)C1=O)C(=O)[O-] O18 H18 O20 H20
30U N1H2H3H4567N89O101112N1314O151617HOB1819HOB2021OH2223O2425O26O27 N1H2H3H4567N89O101112N1314O151617O1819O2021HO2223O2425O26O27P28O29O30O31N32H33H34H35363738N3940O414243N4445O464748O4950OH5152OH5354O5556O57O58P59O60O61 [NH3+]C(CCN1C(=O)CCN(C2OC(CO)C(O)C2O)C1=O)C(=O)[O-] O18 H18 O20 H20
3C H3C1N23NH2456N78H9O1011H1213OHB1415H16HOB1718HO1920O21 H3C1N23NH2456N78H9O1011H1213O1415H16O1718HO1920O21P22O23O24O25CH326N2728H2N293031N3233H34O3536H3738O3940H41OH4243OH4445O46P47O48O49 C[n+]1c(N)ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c1=O O14 H14 O17 H17
39U H3C1N23O4NH5678O91011OHB1213HOB1415HO1617O18 H3C1N23O4NH5678O91011O1213O1415HO1617O18P19O20O21O22CH323N2425O26HN27282930O313233O3435OH3637OH3839O40P41O42O43 Cn1c(=O)[nH]cc(C2OC(CO)C(O)C2O)c1=O O12 H12 O14 H14
3U H3C1N23O456N78O91011OHB1213HOB1415HO1617O18 H3C1N23O456N78O91011O1213O1415HO1617O18P19O20O21O22CH323N2425O262728N2930O313233O3435OH3637OH3839O40P41O42O43 Cn1c(=O)ccn(C2OC(CO)C(O)C2O)c1=O O12 H12 O14 H14
4G CH3123N45NH678N910N1112O131415OHB1617HOB1819HO2021O22N23 H3C123N45HN678N910N1112O131415O1617O1819OH2021O22N23P24O25O26O27CH3282930N3132NH333435N3637N3839O404142O4344HO4546HO4748O49N50P51O52O53 Cc1cn2c([nH]c3c(ncn3C3OC(CO)C(O)C3O)c2=O)n1 O16 H16 O18 H18
74U HOB123O456HO78HOB9N10111213S14HN1516O17 O123O456HO78O9N10111213S14HN1516O17P18O19O20O21O222324O252627OH2829OH30N31323334S35HN3637O38P39O40O41 OCC1OC(C(O)C1O)n1ccc(=S)[nH]c1=O O1 H1 O9 H9
05C CH31O234OHB567OHB8O910N111213H3C1415H2N16N1718O19 CH31O234O567O8O910N111213H3C1415H2N16N1718O19P20O21O22O23H3C24O252627HO282930O31O3233N343536CH33738NH239N4041O42P43O44O45 COC1C(O)C(CO)OC1n1cc(C)c(N)nc1=O O8 H8 O5 H5
05U CH31O234OHB567OHB8O910N111213H3C1415O16HN1718O19 CH31O234O567O8O910N111213H3C1415O16HN1718O19P20O21O22O23H3C24O252627HO282930O31O3233N343536CH33738O39NH4041O42P43O44O45 COC1C(O)C(CO)OC1n1cc(C)c(=O)[nH]c1=O O8 H8 O5 H5
0522U CH31O234H5OHB67H89OHB10O1112H13N14151617OH1819O20O21H3C2223O24NH2526O27 CH31O234H5O67H89O10O1112H13N14151617HO1819O20O21CH32223O24NH2526O27P28O29O30O31H3C32O333435H36HO3738H3940O41O4243H44N45464748OH4950O51O52CH35354O55NH5657O58P59O60O61 COC1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(C(O)C(=O)OC)c(=O)[nH]c1=O O10 H10 O6 H6
522U CH31O23O45OH678N910O111213OHB1415HOB1617HO1819O20HN2122O23 CH31O23O45OH678N910O111213O1415O1617HO1819O20HN2122O23P24O25O26O27H3C28O2930O3132HO333435N3637O383940O4142OH4344OH4546O47NH4849O50P51O52O53 COC(=O)C(O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O O14 H14 O16 H16
2583U CH312CH3345N6H7H891011N1213O141516OHB1718HOB1920HO2122S23HN2425O26 CH312CH3345N6H7H891011N1213O141516O1718O1920HO2122S23HN2425O26P27O28O29O30H3C3132H3C333435N36H37H38394041N4243O444546O4748OH4950OH5152S53NH5455O56P57O58O59 CC(=CC[NH2+]Cc1cn(C2OC(CO)C(O)C2O)c(=S)[nH]c1=O)C O17 H17 O19 H19
0583U CH31O234OHB567OHB8O910N11121314N15H16H17181920CH321H3C2223O24HN2526O27 CH31O234O567O8O910N11121314N15H16H17181920H3C21CH32223O24HN2526O27P28O29O30O31CH332O333435OH363738O39O4041N42434445N46H47H48495051CH352CH35354O55HN5657O58P59O60O61 COC1C(O)C(CO)OC1n1cc(C[NH2+]CC=C(C)C)c(=O)[nH]c1=O O8 H8 O5 H5
583U CH312CH3345N6H7H891011N1213O141516OHB1718HOB1920HO2122O23HN2425O26 CH312CH3345N6H7H891011N1213O141516O1718O1920HO2122O23HN2425O26P27O28O29O30H3C3132H3C333435N36H37H38394041N4243O444546O4748OH4950OH5152O53NH5455O56P57O58O59 CC(=CC[NH2+]Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O)C O17 H17 O19 H19
21510U H3C12CH334567CH38910S1112N1314O151617N18H19H20H2122N2324H25O2627H2829OHB3031H32HOB3334HO35 CH312CH334567H3C8910S1112N1314O151617N18H19H20H2122N2324H25O2627H2829O3031H32O3334OH35P36O37O38O39CH34041CH34243444546CH3474849S5051N5253O545556N57H58H59H6061N6263H64O6566H6768O6970H71HO7273HO74P75O76O77 CC(=CCCC(=CCSc1nc(=O)c(C[NH3+])cn1[C@@H]1O[C@H](CO)[C@H](O)C1O)C)C O30 H30 O33 H33
20510U N1H2H3H4567N89H10O1112H1314OHB1516H17HOB1819HO2021Se22HN2324O25 N1H2H3H4567N89H10O1112H1314O1516H17O1819HO2021Se22HN2324O25P26O27O28O29N30H31H32H33343536N3738H39O4041H4243O4445H46OH4748OH4950Se51NH5253O54P55O56O57 [NH3+]Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=[Se])[nH]c1=O O15 H15 O18 H18
2510U N1H2H3H4567N89H10O1112H1314OHB1516H17HOB1819HO2021S22HN2324O25 N1H2H3H4567N89H10O1112H1314O1516H17O1819HO2021S22HN2324O25P26O27O28O29N30H31H32H33343536N3738H39O4041H4243O4445H46OH4748OH4950S51NH5253O54P55O56O57 [NH3+]Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=S)[nH]c1=O O15 H15 O18 H18
510U N1H2H3H4567N89O101112OHB1314HOB1516HO1718O19HN2021O22 N1H2H3H4567N89O101112O1314O1516HO1718O19HN2021O22P23O24O25O26N27H28H29H30313233N3435O363738O3940OH4142OH4344O45NH4647O48P49O50O51 [NH3+]Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O O13 H13 O15 H15
531U NH212O34OH567N89H10O1112H1314OHB1516H17HOB1819HO2021O22HN2324O25 NH212O34OH567N89H10O1112H1314O1516H17O1819HO2021O22HN2324O25P26O27O28O29H2N3031O3233HO343536N3738H39O4041H4243O4445H46OH4748OH4950O51NH5253O54P55O56O57 NC(=O)C(O)c1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]c1=O O15 H15 O18 H18
253U NH212O3456N78H9O1011H1213OHB1415H16HOB1718HO1920S21HN2223O24 NH212O3456N78H9O1011H1213O1415H16O1718HO1920S21HN2223O24P25O26O27O28H2N2930O31323334N3536H37O3839H4041O4243H44OH4546OH4748S49NH5051O52P53O54O55 NC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=S)[nH]c1=O O14 H14 O17 H17
053U CH31O234OHB567OHB8O910N1112131415H2N16O1718O19HN2021O22 CH31O234O567O8O910N1112131415NH216O1718O19NH2021O22P23O24O25O26H3C27O282930HO313233O34O3536N3738394041H2N42O4344O45NH4647O48P49O50O51 COC1C(O)C(CO)OC1n1cc(CC(=O)N)c(=O)[nH]c1=O O8 H8 O5 H5
53U NH212O3456N78O91011OHB1213HOB1415HO1617O18HN1920O21 NH212O3456N78O91011O1213O1415HO1617O18HN1920O21P22O23O24O25H2N2627O28293031N3233O343536O3738OH3940OH4142O43NH4445O46P47O48O49 NC(=O)Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O O12 H12 O14 H14
520U HOB123O456HO78HOB9N10111213OH1415O16O1718O19HN2021O22 O123O456HO78O9N10111213OH1415O16O1718O19HN2021O22P23O24O25O26O272829O303132OH3334OH35N36373839HO4041O42O4344O45HN4647O48P49O50O51 OCC1OC(C(O)C1O)n1cc(C(O)C(=O)[O-])c(=O)[nH]c1=O O1 H1 O9 H9
2540U HOB123H4O56H78HO910H11HOB12N1314151617O18O1920O21HN2223S24 O123H4O56H78HO910H11O12N1314151617O18O1920O21HN2223S24P25O26O27O28O293031H32O3334H3536OH3738H39OH40N4142434445O46O4748O49HN5051S52P53O54O55 OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(CC(=O)[O-])c(=O)[nH]c1=S O1 H1 O12 H12
2151U CH312CH334567H3C8910S1112N1314O151617N18H19H202122O23O2425N2627H28O2930H3132HOB3334H35HOB3637HO38 CH312CH334567H3C8910S1112N1314O151617N18H19H202122O23O2425N2627H28O2930H3132O3334H35O3637OH38P39O40O41O42CH34344CH34546474849CH3505152S5354N5556O575859N60H61H626364O65O6667N6869H70O7172H7374O7576H77HO7879HO80P81O82O83 CC(=CCCC(=CCSc1nc(=O)c(C[NH2+]CC(=O)[O-])cn1[C@@H]1O[C@H](CO)[C@H](O)C1O)C)C O33 H33 O36 H36
2051U HOB123H4O56H78HO910H11HOB12N13141516N17H18H192021O22O2324O25NH2627Se28 O123H4O56H78HO910H11O12N13141516N17H18H192021O22O2324O25HN2627Se28P29O30O31O32O333435H36O3738H3940OH4142H43OH44N45464748N49H50H515253O54O5556O57HN5859Se60P61O62O63 OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(C[NH2+]CC(=O)[O-])c(=O)[nH]c1=[Se] O1 H1 O12 H12
251U HOB123H4O56H78HO910H11HOB12N13141516N17H18H192021O22O2324O25NH2627S28 O123H4O56H78HO910H11O12N13141516N17H18H192021O22O2324O25HN2627S28P29O30O31O32O333435H36O3738H3940OH4142H43OH44N45464748N49H50H515253O54O5556O57HN5859S60P61O62O63 OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(C[NH2+]CC(=O)[O-])c(=O)[nH]c1=S O1 H1 O12 H12
051U H3C1O234HOB567HOB8O910N11121314N15H16H171819O20O2122O23NH2425O26 CH31O234O567O8O910N11121314N15H16H171819O20O2122O23HN2425O26P27O28O29O30CH331O323334OH353637O38O3940N41424344N45H46H474849O50O5152O53HN5455O56P57O58O59 COC1C(O)C(CO)OC1n1cc(C[NH2+]CC(=O)[O-])c(=O)[nH]c1=O O8 H8 O5 H5
51U HOB123O456HO78HOB9N10111213N14H15H161718O19O2021O22NH2324O25 O123O456HO78O9N10111213N14H15H161718O19O2021O22HN2324O25P26O27O28O29O303132O333435OH3637OH38N39404142N43H44H454647O48O4950O51HN5253O54P55O56O57 OCC1OC(C(O)C1O)n1cc(C[NH2+]CC(=O)[O-])c(=O)[nH]c1=O O1 H1 O9 H9
52U HOB123O456HO78HOB9N1011121314O15O1617O18HN1920O21 O123O456HO78O9N1011121314O15O1617O18HN1920O21P22O23O24O25O262728O293031OH3233OH34N3536373839O40O4142O43HN4445O46P47O48O49 OCC1OC(C(O)C1O)n1cc(CC(=O)[O-])c(=O)[nH]c1=O O1 H1 O9 H9
55U HOB123H4O56H78HO910H11HOB12N1314151617N1819O20HN2122O23 O123H4O56H78HO910H11O12N1314151617N1819O20HN2122O23P24O25O26O27O282930H31O3233H3435OH3637H38OH39N4041424344N4546O47HN4849O50P51O52O53 OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(CC#N)c(=O)[nH]c1=O O1 H1 O12 H12
071C HOB123H4O56H78HO910H11HOB12N1314151617N1819O20HN2122O23 O123H4O56H78HO910H11O12N1314151617N1819O20HN2122O23P24O25O26O27O282930H31O3233H3435OH3637H38OH39N4041424344N4546O47HN4849O50P51O52O53 OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(CC#N)c(=O)[nH]c1=O O1 H1 O12 H12
71C NH212N34O5N6789O1011O121314OHB1516HOB1718HO19 NH212N34O5N6789O1011O121314O1516O1718HO19P20O21O22O23H2N2425N2627O28N29303132O3334O353637O3839OH4041OH42P43O44O45 Nc1nc(=O)n(cc1C=O)C1OC(CO)C(O)C1O O15 H15 O17 H17
50C NH212N34O5N678HO910O111213OHB1415HOB1617HO18 NH212N34O5N678HO910O111213O1415O1617HO18P19O20O21O22H2N2324N2526O27N282930OH3132O333435O3637OH3839OH40P41O42O43 Nc1nc(=O)n(cc1O)C1OC(CO)C(O)C1O O14 H14 O16 H16
51C NH212N34O5N6789OH1011O121314OHB1516HOB1718HO19 NH212N34O5N6789OH1011O121314O1516O1718HO19P20O21O22O23H2N2425N2627O28N29303132HO3334O353637O3839OH4041OH42P43O44O45 Nc1nc(=O)n(cc1CO)C1OC(CO)C(O)C1O O15 H15 O17 H17
50U HOB123O456HO78HOB9N101112OH1314O15HN1617O18 O123O456HO78O9N101112OH1314O15HN1617O18P19O20O21O22O232425O262728OH2930OH31N323334HO3536O37HN3839O40P41O42O43 OCC1OC(C(O)C1O)n1cc(O)c(=O)[nH]c1=O O1 H1 O9 H9
2521U CH31O23O4567N89H10O1112H1314OHB1516H17HOB1819HO2021S22HN2324O25 CH31O23O4567N89H10O1112H1314O1516H17O1819HO2021S22HN2324O25P26O27O28O29H3C30O3132O33343536N3738H39O4041H4243O4445H46OH4748OH4950S51NH5253O54P55O56O57 COC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=S)[nH]c1=O O15 H15 O18 H18
0521U CH31O234OHB567OHB8O910N1112131415O16O17CH31819O20HN2122O23 CH31O234O567O8O910N1112131415O16O17H3C1819O20HN2122O23P24O25O26O27H3C28O293031HO323334O35O3637N3839404142O43O44CH34546O47NH4849O50P51O52O53 COC1C(O)C(CO)OC1n1cc(CC(=O)OC)c(=O)[nH]c1=O O8 H8 O5 H5
521U CH31O23O4567N89O101112OHB1314HOB1516HO1718O19HN2021O22 CH31O23O4567N89O101112O1314O1516HO1718O19HN2021O22P23O24O25O26H3C27O2829O30313233N3435O363738O3940OH4142OH4344O45NH4647O48P49O50O51 COC(=O)Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O O13 H13 O15 H15
501U CH31O234N56O789OHB1011HOB1213HO1415O16HN1718O19 CH31O234N56O789O1011O1213HO1415O16HN1718O19P20O21O22O23H3C24O252627N2829O303132O3334OH3536OH3738O39NH4041O42P43O44O45 COc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O O10 H10 O12 H12
25U CH3123N45H6O78H910HOB1112H13HOB1415HO1617S18HN1920O21 CH3123N45H6O78H910O1112H13O1415HO1617S18HN1920O21P22O23O24O25H3C262728N2930H31O3233H3435O3637H38OH3940OH4142S43NH4445O46P47O48O49 Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=S)[nH]c1=O O11 H11 O14 H14
21511U CH31N2H3H4567N89H10O1112H1314HOB1516H17HOB1819HO2021S22232425CH32627282930H3C31CH332N3334O35 H3C1N2H3H4567N89H10O1112H1314O1516H17O1819OH2021S22232425H3C2627282930CH331H3C32N3334O35P36O37O38O39H3C40N41H42H43444546N4748H49O5051H5253O5455H56HO5758HO5960S61626364CH36566676869CH370CH371N7273O74P75O76O77 C[NH2+]Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(SCC=C(C)CCC=C(C)C)nc1=O O15 H15 O18 H18
20511U CH31N2H3H4567N89H10O1112H1314OHB1516H17HOB1819HO2021Se22HN2324O25 CH31N2H3H4567N89H10O1112H1314O1516H17O1819HO2021Se22HN2324O25P26O27O28O29H3C30N31H32H33343536N3738H39O4041H4243O4445H46OH4748OH4950Se51NH5253O54P55O56O57 C[NH2+]Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=[Se])[nH]c1=O O15 H15 O18 H18
2511U CH31N2H3H4567N89H10O1112H1314OHB1516H17HOB1819HO2021S22HN2324O25 CH31N2H3H4567N89H10O1112H1314O1516H17O1819HO2021S22HN2324O25P26O27O28O29H3C30N31H32H33343536N3738H39O4041H4243O4445H46OH4748OH4950S51NH5253O54P55O56O57 C[NH2+]Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=S)[nH]c1=O O15 H15 O18 H18
511U CH31N2H3H4567N89O101112OHB1314HOB1516HO1718O19HN2021O22 CH31N2H3H4567N89O101112O1314O1516HO1718O19HN2021O22P23O24O25O26H3C27N28H29H30313233N3435O363738O3940OH4142OH4344O45NH4647O48P49O50O51 C[NH2+]Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O O13 H13 O15 H15
5C CH3123N45O678HOB910HOB1112HO1314O15N1617NH218 CH3123N45O678O910O1112HO1314O15N1617NH218P19O20O21O22H3C232425N2627O282930O3132OH3334OH3536O37N3839H2N40P41O42O43 Cc1cn(C2OC(CO)C(O)C2O)c(=O)nc1N O9 H9 O11 H11
58U CH3123N45O678HOB910HOB1112HO1314O15HN1617O18 CH3123N45O678O910O1112HO1314O15HN1617O18P19O20O21O22H3C232425N2627O282930O3132OH3334OH3536O37NH3839O40P41O42O43 CC1CN(C2OC(CO)C(O)C2O)C(=O)NC1=O O9 H9 O11 H11
5U CH3123N45O678HOB910HOB1112HO1314O15HN1617O18 CH3123N45O678O910O1112HO1314O15HN1617O18P19O20O21O22H3C232425N2627O282930O3132OH3334OH3536O37NH3839O40P41O42O43 Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O O9 H9 O11 H11
254U HOB123H4O56H78HO910H11HOB12N13141516N17H18H192021S22O23O24O2526O27HN2829S30 O123H4O56H78HO910H11O12N13141516N17H18H192021S22O23O24O2526O27HN2829S30P31O32O33O34O353637H38O3940H4142OH4344H45OH46N47484950N51H52H535455S56O57O58O5960O61HN6263S64P65O66O67 OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(C[NH2+]CCS(=O)(=O)[O-])c(=O)[nH]c1=S O1 H1 O12 H12
54U HOB123O456HO78HOB9N10111213N14H15H161718S19O20O21O2223O24HN2526O27 O123O456HO78O9N10111213N14H15H161718S19O20O21O2223O24HN2526O27P28O29O30O31O323334O353637OH3839OH40N41424344N45H46H474849S50O51O52O5354O55HN5657O58P59O60O61 OCC1OC(C(O)C1O)n1cc(C[NH2+]CCS(=O)(=O)[O-])c(=O)[nH]c1=O O1 H1 O9 H9
47G CH3123456N7H8H9H1011O12O13N1415NH161718N1920N2122H23O2425H2627HOB2829H30HOB3132HO3334O35N36 H3C123456N7H8H9H1011O12O13N1415HN161718N1920N2122H23O2425H2627O2829H30O3132OH3334O35N36P37O38O39O40CH3414243444546N47H48H49H5051O52O53N5455NH565758N5960N6162H63O6465H6667O6869H70HO7172HO7374O75N76P77O78O79 Cc1c(CCC([NH3+])C(=O)[O-])n2c([nH]c3c(ncn3[C@@H]3O[C@H](CO)[C@H](O)C3O)c2=O)n1 O28 H28 O31 H31
347G CH31N23N45CH3678910N11H12H13H1415O16O17N1819O202122N2324N2526H27O2829H3031HOB3233H34OHB3536OH37 CH31N23N45H3C678910N11H12H13H1415O16O17N1819O202122N2324N2526H27O2829H3031O3233H34O3536HO37P38O39O40O41CH342N4344N4546CH34748495051N52H53H54H5556O57O58N5960O616263N6465N6667H68O6970H7172O7374H75OH7677OH78P79O80O81 Cn1c2nc(C)c(CCC([NH3+])C(=O)[O-])n2c(=O)c2c1n(cn2)[C@@H]1O[C@H](CO)[C@H](O)C1O O32 H32 O35 H35
348G H3C1O23O45N6H7H8H910111213H3C14N1516N1718O192021N2223N2425H26O2728H2930OHB3132H33OHB3435HO36N37CH338 H3C1O23O45N6H7H8H910111213H3C14N1516N1718O192021N2223N2425H26O2728H2930O3132H33O3435HO36N37CH338P39O40O41O42CH343O4445O4647N48H49H50H5152535455CH356N5758N5960O616263N6465N6667H68O6970H7172O7374H75OH7677OH78N79CH380P81O82O83 COC(=O)C([NH3+])CCc1c(C)nc2n1c(=O)c1c(n(cn1)[C@@H]1O[C@H](CO)[C@H](O)C1O)n2C O31 H31 O34 H34
101G NH212N34567N8H9H10H1112N1314H15O1617H1819OHB2021H22HOB2324HO2526O27NH28 H2N12N34567N8H9H10H1112N1314H15O1617H1819O2021H22O2324OH2526O27HN28P29O30O31O32NH23334N3536373839N40H41H42H4344N4546H47O4849H5051O5253H54HO5556HO5758O59NH60P61O62O63 Nc1nc2c(c(C[NH3+])cn2[C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]1 O20 H20 O23 H23
100G NH212N34567N89H10O1112H1314OHB1516H17HOB1819HO2021N2223O24NH25 H2N12N34567N89H10O1112H1314O1516H17O1819OH2021N2223O24HN25P26O27O28O29NH23031N3233343536N3738H39O4041H4243O4445H46HO4748HO4950N5152O53NH54P55O56O57 Nc1nc2c(c(cn2[C@@H]2O[C@H](CO)[C@H](O)C2O)C#N)c(=O)[nH]1 O15 H15 O18 H18
7G H3C1N23N45H6O78H910HOB1112H13HOB1415HO16171819OH20N2122NH223NH24 CH31N23N45H6O78H910O1112H13O1415OH16171819OH20N2122H2N23HN24P25O26O27O28H3C29N3031N3233H34O3536H3738O3940H41HO4243HO44454647OH48N4950NH251NH52P53O54O55 C[n+]1cn([C@H]2O[C@@H](CO)[C@@H](O)C2O)c2c1C(O)N=C(N)N2 O11 H11 O14 H14
8A H3C12N345NH26N78N910N1112O131415OHB1617HOB1819HO20 CH312N345NH26N78N910N1112O131415O1617O1819OH20P21O22O23O24H3C2526N272829NH230N3132N3334N3536O373839O4041HO4243HO44P45O46O47 Cc1nc2c(N)ncnc2n1C1OC(CO)C(O)C1O O16 H16 O18 H18
02G CH31NH23N456N78N910O111213OHB1415HOB1617O18CH31920O21NH22 H3C1HN23N456N78N910O111213O1415O1617O18CH31920O21HN22P23O24O25O26CH327NH2829N303132N3334N3536O373839O4041HO4243O44CH34546O47NH48P49O50O51 CNc1nc2c(ncn2C2OC(CO)C(O)C2OC)c(=O)[nH]1 O14 H14 O16 H16
027G CH31HN23N45OH678HN9N1011N12H3C1314H15O1617H1819HOB2021H22OHB2324O25CH326 H3C1NH23N45HO678NH9N1011N12CH31314H15O1617H1819O2021H22O2324O25H3C26P27O28O29O30CH331HN3233N3435OH363738HN39N4041N42H3C4344H45O4647H4849O5051H52OH5354O55CH356P57O58O59 CNC1=NC(O)c2c(N1)n(c[n+]2C)[C@H]1O[C@@H](CO)[C@@H](O)C1OC O20 H20 O23 H23
27G CH31HN23N45OH678HN9N1011N12H3C1314H15O1617H1819HOB2021H22OHB2324OH25 H3C1NH23N45HO678NH9N1011N12CH31314H15O1617H1819O2021H22O2324HO25P26O27O28O29CH330HN3132N3334OH353637HN38N3940N41H3C4243H44O4546H4748O4950H51OH5253OH54P55O56O57 CNC1=NC(O)c2c(N1)n(c[n+]2C)[C@H]1O[C@@H](CO)[C@@H](O)C1O O20 H20 O23 H23
022G CH31O234HOB567HOB8O910N1112N131415N1617NH1819O20N21CH322CH323 CH31O234O567O8O910N1112N131415N1617HN1819O20N21H3C22H3C23P24O25O26O27CH328O293031HO323334O35O3637N3839N404142N4344NH4546O47N48CH349CH350P51O52O53 COC1C(O)C(CO)OC1n1cnc2c1nc([nH]c2=O)N(C)C O8 H8 O5 H5
227G CH31N2CH334N56OH789HN10N1112N13H3C1415H16O1718H1920HOB2122H23OHB2425OH26 H3C1N2CH334N56HO789NH10N1112N13CH31415H16O1718H1920O2122H23O2425HO26P27O28O29O30CH331N32CH33334N3536OH373839HN40N4142N43H3C4445H46O4748H4950O5152H53OH5455OH56P57O58O59 CN(C)C1=NC(O)c2c(N1)n(c[n+]2C)[C@H]1O[C@@H](CO)[C@@H](O)C1O O21 H21 O24 H24
22G CH31N2CH334N567N89N1011O121314OHB1516HOB1718HO1920O21NH22 H3C1N2H3C34N567N89N1011O121314O1516O1718OH1920O21HN22P23O24O25O26CH327N28CH32930N313233N3435N3637O383940O4142HO4344HO4546O47NH48P49O50O51 CN(C)c1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1 O15 H15 O17 H17
2G CH31NH23N456N78N910O111213OHB1415HOB1617HO1819O20NH21 H3C1HN23N456N78N910O111213O1415O1617OH1819O20HN21P22O23O24O25CH326NH2728N293031N3233N3435O363738O3940HO4142HO4344O45NH46P47O48O49 CNc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1 O14 H14 O16 H16
04C H3C1NH23N45O6N78910O111213OHB1415HOB1617O18H3C19 H3C1NH23N45O6N78910O111213O1415O1617O18H3C19P20O21O22O23CH324HN2526N2728O29N30313233O343536O3738OH3940O41CH342P43O44O45 CNc1nc(=O)n(cc1)C1OC(CO)C(O)C1OC O14 H14 O16 H16
044C CH31O234OHB567OHB8O910N11121314N1516O17N18H3C19H3C20 CH31O234O567O8O910N11121314N1516O17N18H3C19H3C20P21O22O23O24H3C25O262728HO293031O32O3334N35363738N3940O41N42CH343CH344P45O46O47 COC1C(O)C(CO)OC1n1ccc(nc1=O)N(C)C O8 H8 O5 H5
44C H3C1N2CH334N56O7N891011O121314OHB1516HOB1718HO19 H3C1N2CH334N56O7N891011O121314O1516O1718HO19P20O21O22O23CH324N25H3C2627N2829O30N31323334O353637O3839OH4041OH42P43O44O45 CN(C)c1nc(=O)n(cc1)C1OC(CO)C(O)C1O O15 H15 O17 H17
042C CH31O234OHB567OHB8O910N11121314HN1516H3C17O18N1920O21 CH31O234O567O8O910N11121314HN1516CH317O18N1920O21P22O23O24O25H3C26O272829HO303132O33O3435N36373839NH4041H3C42O43N4445O46P47O48O49 COC1C(O)C(CO)OC1n1ccc(NC(=O)C)nc1=O O8 H8 O5 H5
42C CH312O3NH45N67O8N9101112O131415OHB1617HOB1819HO20 CH312O3NH45N67O8N9101112O131415O1617O1819HO20P21O22O23O24H3C2526O27NH2829N3031O32N33343536O373839O4041OH4243OH44P45O46O47 CC(=O)Nc1nc(=O)n(cc1)C1OC(CO)C(O)C1O O16 H16 O18 H18
4C H3C1NH23N45O6N78910O111213OHB1415HOB1617HO18 H3C1NH23N45O6N78910O111213O1415O1617HO18P19O20O21O22CH323HN2425N2627O28N29303132O333435O3637OH3839OH40P41O42O43 CNc1nc(=O)n(cc1)C1OC(CO)C(O)C1O O14 H14 O16 H16
06A CH31HN234N56N78O91011HOB1213OHB1415O16CH31718N1920N21 H3C1NH234N56N78O91011O1213O1415O16H3C1718N1920N21P22O23O24O25CH326HN272829N3031N3233O343536O3738OH3940O41CH34243N4445N46P47O48O49 CNc1c2ncn(C3OC(CO)C(O)C3OC)c2ncn1 O12 H12 O14 H14
066A CH31O234OHB567OHB8O910N1112N131415N1617N1819N20H3C21CH322 H3C1O234O567O8O910N1112N131415N1617N1819N20H3C21CH322P23O24O25O26CH327O282930OH313233O34O3536N3738N394041N4243N4445N46H3C47CH348P49O50O51 COC1C(O)C(CO)OC1n1cnc2c(ncnc12)N(C)C O8 H8 O5 H5
66A CH31N2H3C345N67N89O101112HOB1314OHB1516OH1718N1920N21 H3C1N2CH3345N67N89O101112O1314O1516HO1718N1920N21P22O23O24O25CH326N27H3C282930N3132N3334O353637O3839OH4041OH4243N4445N46P47O48O49 CN(C)c1c2ncn(C3OC(CO)C(O)C3O)c2ncn1 O13 H13 O15 H15
60A H3C123HO456HN789N1011N1213O141516HOB1718OHB1920OH2122N2324N25 CH3123OH456NH789N1011N1213O141516O1718O1920HO2122N2324N25P26O27O28O29H3C303132OH333435NH363738N3940N4142O434445O4647OH4849OH5051N5253N54P55O56O57 CC(=CCNc1c2ncn(C3OC(CO)C(O)C3O)c2ncn1)CO O17 H17 O19 H19
64A CH312O3HN456N78N910O111213HOB1415OHB1617OH1819N2021N22 H3C12O3NH456N78N910O111213O1415O1617HO1819N2021N22P23O24O25O26CH32728O29NH303132N3334N3536O373839O4041OH4243OH4445N4647N48P49O50O51 CC(=O)Nc1c2ncn(C3OC(CO)C(O)C3O)c2ncn1 O14 H14 O16 H16
67A OHB123H4O56H78OH910H11OHB12N1314N151617HN1819O20N2122N2324 O123H4O56H78HO910H11O12N1314N151617NH1819O20N2122N2324P25O26O27O28O293031H32O3334H3536OH3738H39OH40N4142N434445HN4647O48N4950N5152P53O54O55 OC[C@H]1O[C@H](C(O)[C@H]1O)n1cnc2c(NC=O)ncnc12 O1 H1 O12 H12
65A HOB123H4O56H78HO910H11HOB12N1314N151617NH1819O20NH212223O24O25N2627N2829 O123H4O56H78HO910H11O12N1314N151617NH1819O20NH212223O24O25N2627N2829P30O31O32O33O343536H37O3839H4041OH4243H44OH45N4647N484950NH5152O53NH545556O57O58N5960N6162P63O64O65 OC[C@H]1O[C@H](C(O)[C@H]1O)n1cnc2c(NC(=O)NCC(=O)[O-])ncnc12 O1 H1 O12 H12
68A OH12HN345N67N89H10O1112H1314HOB1516H17OHB1819OH2021N2223N24 HO12NH345N67N89H10O1112H1314O1516H17O1819HO2021N2223N24P25O26O27O28OH2930NH313233N3435N3637H38O3940H4142O4344H45OH4647OH4849N5051N52P53O54O55 OCNc1c2ncn([C@@H]3O[C@H](CO)[C@H](O)C3O)c2ncn1 O15 H15 O18 H18
63A H3C123OH45HN67O8HN91011N1213N1415O161718OHB1920OHB2122HO2324N2526N2728O29O30 H3C123OH45NH67O8NH91011N1213N1415O161718O1920O2122HO2324N2526N2728O29O30P31O32O33O34CH3353637OH3839NH4041O42NH434445N4647N4849O505152O5354OH5556OH5758N5960N6162O63O64P65O66O67 CCC(O)C(NC(=O)Nc1c2ncn(C3OC(CO)C(O)C3O)c2ncn1)C(=O)[O-] O19 H19 O21 H21
61A CH312H3C345HN678N910N1112O131415HOB1617OHB1819OH2021N2223N24 H3C12CH3345NH678N910N1112O131415O1617O1819HO2021N2223N24P25O26O27O28CH32930H3C313233NH343536N3738N3940O414243O4445OH4647OH4849N5051N52P53O54O55 CC(=CCNc1c2ncn(C3OC(CO)C(O)C3O)c2ncn1)C O16 H16 O18 H18
662A CH312HO34HN56O7N8H3C91011N1213N1415H16O1718H1920HOB2122H23HOB2425OH2627N2829N3031O32O33 H3C12OH34NH56O7N8CH391011N1213N1415H16O1718H1920O2122H23O2425HO2627N2829N3031O32O33P34O35O36O37CH33839HO4041HN4243O44N45H3C464748N4950N5152H53O5455H5657O5859H60OH6162OH6364N6566N6768O69O70P71O72O73 CC(O)C(NC(=O)N(C)c1c2ncn([C@@H]3O[C@H](CO)[C@H](O)C3O)c2ncn1)C(=O)[O-] O21 H21 O24 H24
6A CH31HN234N56N78O91011HOB1213OHB1415OH1617N1819N20 H3C1NH234N56N78O91011O1213O1415HO1617N1819N20P21O22O23O24CH325HN262728N2930N3132O333435O3637OH3839OH4041N4243N44P45O46O47 CNc1c2ncn(C3OC(CO)C(O)C3O)c2ncn1 O12 H12 O14 H14
62A H3C12OH34NH256O7HN89O10HN111213N1415N1617H18O1920H2122OHB2324H25OHB2627HO2829N3031N32 H3C12HO34NH256O7NH89O10NH111213N1415N1617H18O1920H2122O2324H25O2627HO2829N3031N32P33O34O35O36CH33738HO3940NH24142O43NH4445O46NH474849N5051N5253H54O5556H5758O5960H61OH6263OH6465N6667N68P69O70O71 CC(O)C(N)C(=O)NC(=O)Nc1c2ncn([C@@H]3O[C@H](CO)[C@H](O)C3O)c2ncn1 O23 H23 O26 H26
20C H2N12N3H4H5HN678910NH1112N13H1415NH161718N1920O212223OHB2425HOB2627HO28 H2N12N3H4H5HN678910NH1112N13H1415HN161718N1920O212223O2425O2627OH28P29O30O31O32H2N3334N35H36H37NH3839404142HN4344N45H4647NH484950N5152O535455O5657HO5859HO60P61O62O63 NC(=[NH2+])NCCCCNc1[nH+]c(=N)ccn1C1OC(CO)C(O)C1O O24 H24 O26 H26
103G NH212N3H4H567N89H10O1112H1314OHB1516H17HOB1819HO20212223O24NH2526NH227N28 H2N12N3H4H567N89H10O1112H1314O1516H17O1819OH20212223O24HN2526H2N27N28P29O30O31O32H2N3334N35H36H373839N4041H42O4344H4546O4748H49HO5051HO52535455O56NH5758NH259N60P61O62O63 NC(=[NH2+])c1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c2c1c(=O)[nH]c(N)n2 O15 H15 O18 H18
69A CH312HO34N56HN789N1011N1213H14O1516H1718HOB1920H21OHB2223OH2425N2627N28O2930O31 H3C12OH34N56NH789N1011N1213H14O1516H1718O1920H21O2223HO2425N2627N28O2930O31P32O33O34O35CH33637HO3839N4041HN424344N4546N4748H49O5051H5253O5455H56OH5758OH5960N6162N63O6465O66P67O68O69 CC(O)C1N=C(Nc2c3ncn([C@@H]4O[C@H](CO)[C@H](O)C4O)c3ncn2)OC1=O O19 H19 O22 H22
8U HOB123O456HO78HOB9N10111213O14HN1516O17 O123O456HO78O9N10111213O14HN1516O17P18O19O20O21O222324O252627OH2829OH30N31323334O35HN3637O38P39O40O41 OCC1OC(C(O)C1O)N1CCC(=O)NC1=O O1 H1 O9 H9
102G NH212N34567NH8910O111213OH1415OH1617N1819H20O2122H2324OHB2526H27HOB2829HO3031O32NH33 H2N12N34567HN8910O111213OH1415HO1617N1819H20O2122H2324O2526H27O2829OH3031O32HN33P34O35O36O37NH23839N4041424344NH454647O484950OH5152OH5354N5556H57O5859H6061O6263H64HO6566HO6768O69NH70P71O72O73 Nc1nc2c(c(CNC3C4OC4C(O)C3O)cn2[C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]1 O25 H25 O28 H28
104G NH212N34567NH89101112OH1314O1516H17O181920OH2122H23OH2425H26OH2728OH2930N3132H33O3435H3637OHB3839HOB4041H42HO4344O45NH46 H2N12N34567HN89101112OH1314O1516H17O181920HO2122H23HO2425H26HO2728HO2930N3132H33O3435H3637O3839O4041H42OH4344O45HN46P47O48O49O50NH25152N5354555657NH5859606162OH6364O6566H67O686970HO7172H73OH7475H76OH7778OH7980N8182H83O8485H8687O8889HO9091H92HO9394O95NH96P97O98O99 Nc1nc2c(c(CNC3C=CC(O)C3O[C@@H]3OC(CO)[C@H](O)[C@@H](O)C3O)cn2[C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]1 O38 H38 O40 H40
2165A HO123OH45HN67O8HN91011N1213N1415H16O1718H1920OHB2122OHB2324HO2526N2728N2930O31O32 HO123OH45NH67O8NH91011N1213N1415H16O1718H1920O2122O2324HO2526N2728N2930O31O32P33O34O35O36OH373839OH4041NH4243O44NH454647N4849N5051H52O5354H5556O5758OH5960OH6162N6364N6566O67O68P69O70O71 OCC(O)C(NC(=O)Nc1c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2ncn1)C(=O)[O-] O21 H21 O23 H23
34830G CH31O23O4HN567HO891011H3C12N1314N1516O171819N2021N2223H24O2526H2728OHB2930H31HOB3233HO34N35H3C3637O38O39CH340 H3C1O23O4HN567HO891011H3C12N1314N1516O171819N2021N2223H24O2526H2728O2930H31O3233HO34N35CH33637O38O39CH340P41O42O43O44CH345O4647O48HN495051HO52535455CH356N5758N5960O616263N6465N6667H68O6970H7172O7374H75OH7677OH78N79CH38081O82O83CH384P85O86O87 COC(=O)NC(C(O)Cc1c(C)nc2n1c(=O)c1c(n(cn1)[C@@H]1O[C@H](CO)[C@H](O)C1O)n2C)C(=O)OC O29 H29 O32 H32
9A HOB123O456HO78HOB9N1011N121314N1516NH1718O19 O123O456OH78O9N1011N121314N1516HN1718O19P20O21O22O23O242526O272829HO3031HO32N3334N353637N3839NH4041O42P43O44O45 OCC1OC(C(O)C1O)n1cnc2c1nc[nH]c2=O O1 H1 O9 H9
42G CH3123CH34N56NH789N1011N1213O141516OHB1718HOB1920HO2122O23N24 H3C123CH34N56HN789N1011N1213O141516O1718O1920OH2122O23N24P25O26O27O28CH3293031CH332N3334NH353637N3839N4041O424344O4546HO4748HO4950O51N52P53O54O55 Cc1c(C)n2c([nH]c3c(ncn3C3OC(CO)C(O)C3O)c2=O)n1 O17 H17 O19 H19
106G NH212N34567NH89101112OH1314O1516H17O181920OH2122H23OH2425H26OH2728OH2930N3132H33O3435H3637OHB3839HOB4041H42HO4344O45NH46 H2N12N34567HN89101112OH1314O1516H17O181920HO2122H23HO2425H26HO2728HO2930N3132H33O3435H3637O3839O4041H42OH4344O45HN46P47O48O49O50NH25152N5354555657NH5859606162OH6364O6566H67O686970HO7172H73OH7475H76OH7778OH7980N8182H83O8485H8687O8889HO9091H92HO9394O95NH96P97O98O99 Nc1nc2c(c(CNC3C=CC(O)C3O[C@@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)cn2[C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]1 O38 H38 O40 H40
3480G H3C1O23O45NH267OH891011H3C12N1314N1516O171819N2021N2223H24O2526H2728OHB2930H31OHB3233HO34N35CH336 H3C1O23O45NH267HO891011H3C12N1314N1516O171819N2021N2223H24O2526H2728O2930H31O3233HO34N35CH336P37O38O39O40CH341O4243O4445H2N4647OH48495051CH352N5354N5556O575859N6061N6263H64O6566H6768O6970H71OH7273OH74N75CH376P77O78O79 COC(=O)C(N)C(O)Cc1c(C)nc2n1c(=O)c1c(n(cn1)[C@@H]1O[C@H](CO)[C@H](O)C1O)n2C O29 H29 O32 H32
342G CH31N23N45CH367CH38N910O111213N1415N1617O181920HOB2122OHB2324OH25 CH31N23N45H3C67H3C8N910O111213N1415N1617O181920O2122O2324HO25P26O27O28O29CH330N3132N3334CH33536CH337N3839O404142N4344N4546O474849O5051OH5253OH54P55O56O57 Cn1c2nc(C)c(C)n2c(=O)c2c1n(cn2)C1OC(CO)C(O)C1O O21 H21 O23 H23
34832G CH31O23O4HN5678910H3C11N1213N1415O161718N1920N2122H23O2425H2627OHB2829H30HOB3132HO33N34H3C35O36HO3738O39O40CH341 H3C1O23O4HN5678910H3C11N1213N1415O161718N1920N2122H23O2425H2627O2829H30O3132HO33N34CH335O36HO3738O39O40CH341P42O43O44O45CH346O4748O49HN505152535455CH356N5758N5960O616263N6465N6667H68O6970H7172O7374H75OH7677OH78N79CH380O81HO8283O84O85CH386P87O88O89 COC(=O)NC(C(Cc1c(C)nc2n1c(=O)c1c(n(cn1)[C@@H]1O[C@H](CO)[C@H](O)C1O)n2C)OO)C(=O)OC O28 H28 O31 H31
9U HOB123O456HO78HOB91011NH1213O14HN1516O17 O123O456HO78O91011NH1213O14HN1516O17P18O19O20O21O222324O252627OH2829OH303132HN3334O35HN3637O38P39O40O41 OCC1OC(C(O)C1O)c1c[nH]c(=O)[nH]c1=O O1 H1 O9 H9
10G NH212N34567NH89101112OH1314OH1516N1718H19O2021H2223OHB2425H26HOB2728HO2930O31NH32 H2N12N34567HN89101112OH1314HO1516N1718H19O2021H2223O2425H26O2728OH2930O31HN32P33O34O35O36NH23738N3940414243NH4445464748OH4950OH5152N5354H55O5657H5859O6061H62HO6364HO6566O67NH68P69O70O71 Nc1nc2c(c(CNC3C=CC(O)C3O)cn2[C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]1 O24 H24 O27 H27
3470G CH31N23N45CH36789OH1011N12H13H14H1516O17O18N1920O212223N2425N2627H28O2930H3132HOB3334H35OHB3637OH38 CH31N23N45H3C6789HO1011N12H13H14H1516O17O18N1920O212223N2425N2627H28O2930H3132O3334H35O3637HO38P39O40O41O42CH343N4445N4647CH348495051HO5253N54H55H56H5758O59O60N6162O636465N6667N6869H70O7172H7374O7576H77OH7879OH80P81O82O83 Cn1c2nc(C)c(CC(O)C([NH3+])C(=O)[O-])n2c(=O)c2c1n(cn2)[C@@H]1O[C@H](CO)[C@H](O)C1O O33 H33 O36 H36
502U HOB123O456HO78HOB9N101112O131415O16O1718O19HN2021O22 O123O456HO78O9N101112O131415O16O1718O19HN2021O22P23O24O25O26O272829O303132OH3334OH35N363738O394041O42O4344O45HN4647O48P49O50O51 OCC1OC(C(O)C1O)n1cc(OCC(=O)[O-])c(=O)[nH]c1=O O1 H1 O9 H9
503U H3C1O23O45O678N910O111213OHB1415OHB1617OH1819O20NH2122O23 CH31O23O45O678N910O111213O1415O1617HO1819O20HN2122O23P24O25O26O27CH328O2930O3132O333435N3637O383940O4142OH4344OH4546O47NH4849O50P51O52O53 COC(=O)COc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O O14 H14 O16 H16
3483G CH31O23O4HN5678910H3C11N1213N1415O161718N1920N2122O232425OHB2627HOB2829HO30N31H3C3233O34O35CH336 H3C1O23O4HN5678910H3C11N1213N1415O161718N1920N2122O232425O2627O2829HO30N31CH33233O34O35CH336P37O38O39O40CH341O4243O44HN454647484950CH351N5253N5455O565758N5960N6162O636465O6667OH6869OH70N71CH37273O74O75CH376P77O78O79 COC(=O)NC(CCc1c(C)nc2n1c(=O)c1c(n(cn1)C1OC(CO)C(O)C1O)n2C)C(=O)OC O26 H26 O28 H28
34G CH31N23N45CH367N89O101112N1314N1516H17O1819H2021HOB2223H24OHB2526H27OH28 CH31N23N45H3C67N89O101112N1314N1516H17O1819H2021O2223H24O2526H27HO28P29O30O31O32CH333N3435N3637CH33839N4041O424344N4546N4748H49O5051H5253O5455H56OH5758H59OH60P61O62O63 Cn1c2nc(C)cn2c(=O)c2c1n(cn2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O O22 H22 O25 H25